SCHEMBL9953181

SCHEMBL9953181

COc1c(CCN)cc(Cl)c(C)c1-c1ccc(C(=O)N2CC(C#N)C2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 17/20 0.37
KDM1A O60341 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9929056 0.86 CPS1 (0.39) CPS1
SCHEMBL9953797 0.81 PARP10 (0.39) MEN1NPC1KMT2AATML3MBTL1
SCHEMBL9952300 0.75 NEK1 (0.35) L3MBTL1
SCHEMBL9929240 0.74 PIK3CD (0.46)
SCHEMBL10278654 0.74 CPS1 (0.39) CPS1
SCHEMBL21986430 0.69 MTOR (0.38) CPS1KMT2A
SCHEMBL9952917 0.68 FASN (0.33) KDM1A
SCHEMBL21986437 0.68 LRRK2 (0.39)
SCHEMBL9928941 0.66 NPC1 (0.41) MEN1NPC1KMT2AATML3MBTL1
SCHEMBL9928829 0.66 MEN1 (0.37) MEN1NPC1KMT2AATML3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655374-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Corporation (US) 2013-10-30 EP disclosed
WO-2012087881-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-06-28 WO disclosed